SCHEMBL2144278

SCHEMBL2144278

CC1(C)C(=O)Nc2cc(I)ccc21

nearest known ligand 0.55

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ PDK2 Q15119 1/20 0.55
▸ PDK4 Q16654 1/20 0.55
▸ MAPK14 Q16539 4/20 0.43
▸ ATAD2 Q6PL18 1/20 0.43
▸ PGR P06401 7/20 0.42
▸ BMPR1B O00238 1/20 0.41
▸ BMPR1A P36894 1/20 0.41
▸ TGFBR1 P36897 1/20 0.41
▸ ACVRL1 P37023 1/20 0.41
▸ ACVR1 Q04771 1/20 0.41
▸ PDE3B Q13370 3/20 0.41
▸ PDE3A Q14432 3/20 0.41
▸ TGM2 P21980 1/20 0.39
▸ CES1 P23141 1/20 0.39
▸ PDE4A P27815 2/20 0.38
▸ PDE4B Q07343 2/20 0.38
▸ PDE4C Q08493 2/20 0.38
▸ PDE4D Q08499 2/20 0.38
▸ HTR6 P50406 1/20 0.38

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL31238681 0.85 PDK2 (0.55) PDK2PDK4ATAD2PGRPDE3B
SCHEMBL10116540 0.85 PDK2 (0.55) PDK2PDK4ATAD2PGRPDE3B
SCHEMBL7433946 0.78 PDK2 (0.57) PDK2PDK4MAPK14ATAD2PGR
SCHEMBL18413652 0.78 TGM2 (0.49) PDK2PDK4ATAD2PGRACVR1
SCHEMBL1972936 0.77 PDK2 (0.55) PDK2PDK4MAPK14ATAD2PGR
SCHEMBL1223198 0.77 PDK2 (0.55) PDK2PDK4MAPK14ATAD2PGR
SCHEMBL13617327 0.77 PDK2 (0.55) PDK2PDK4MAPK14ATAD2PGR
SCHEMBL2272299 0.77 PGR (0.55) PDK2PDK4MAPK14ATAD2PGR
SCHEMBL29519108 0.77 PDK2 (0.55) PDK2PDK4MAPK14ATAD2PGR
SCHEMBL29622556 0.77 PDK2 (0.55) PDK2PDK4MAPK14ATAD2PGR

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2344494-B1 AMINOTRIAZOLOPYRIDINES AND THEIR USE AS KINASE INHIBITORS SIGNAL PHARM LLC (US) 2016-04-20 — — EP disclosed
US-20130005707-A1 AMINOTRIAZOLOPYRIDINES, COMPOSITIONS THEREOF, AND METHODS OF TREATMENT THEREWITH BAHMANYAR SOGOLE (US) 2013-01-03 — — US disclosed
US-8299056-B2 Aminotriazolopyridines, compositions thereof, and methods of treatment therewith SIGNAL PHARMACEUTICALS, LLC (US) 2012-10-30 — — US disclosed
EP-2344494-A1 AMINOTRIAZOLOPYRIDINES AND THEIR USE AS KINASE INHIBITORS Signal Pharmaceuticals, LLC (US) 2011-07-20 — — EP disclosed
US-20100093698-A1 AMINOTRIAZOLOPYRIDINES, COMPOSITIONS THEREOF, AND METHODS OF TREATMENT THEREWITH SIGNAL PHARMACEUTICALS, LLC 2010-04-15 — — US disclosed
WO-2010027500-A1 AMINOTRIAZOLOPYRIDINES AND THEIR USE AS KINASE INHIBITORS SIGNAL PHARMACEUTICALS, LLC (US) 2010-03-11 — — WO disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (2 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20130005707-A1 AMINOTRIAZOLOPYRIDINES, COMPOSITIONS THEREOF, AND METHODS OF TREATMENT THEREWITH MAP3K2, MAP3K1, MAP3K3 PDK2 134/4885PDK4 310/4885MAPK14 391/4885
US-20100093698-A1 AMINOTRIAZOLOPYRIDINES, COMPOSITIONS THEREOF, AND METHODS OF TREATMENT THEREWITH MAP3K2, MAP3K1, MAP3K3 PDK2 134/4885PDK4 310/4885MAPK14 391/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.

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